Ralaniten - ≥99% , CAS No.1203490-23-6

CAS: 1203490-23-6 Cat. No.: R648161 Peso molecular: 394.9

GRADE & PURITY ≥99%

Synonyms

Ralaniten | Ralaniten (USAN/INN) | 1,2-Propanediol, 3-(4-(1-(4-((2S)-3-chloro-2-hydroxypropoxy)phenyl)-1-methylethyl)phenoxy)-, (2R)- | E74798 | D11184 | AKOS040749271 | RALANITEN [INN] | (R)-3-(4-(2-(4-((S)-3-chloro-2-hydroxypropoxy)phenyl)propan-2-yl)ph

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Ralaniten (EPI-002) is a potent and orally active antagonist of the androgen receptor-N-terminal domain (AR-NTD) . Ralaniten inhibits AR transcriptional activity, with IC 50 of 7.4 μM. Ralaniten can be used for the research of castration-resistant prostate cancer (CRPC)

In Vitro

EPI-002 (5-35 μM; 2-3 days) reduces AR-dependent proliferation of LNCaP cells, and has no effect on the viability of PC3 human prostate cancer cells that do not express functional AR. Ralaniten (10-35 μM; 4 h) inhibits transactivation of the AR N-terminal domain (NTD) induced by forskolin in LNCaP cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

EPI-002 (100 mg/kg; p.o. twice daily for 28 days) inhibits the VCaP tumor growth in castrated mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male NOD-SCID mice bearing subcutaneous tumors were castrated Dosage: 100 mg/kg Administration: P.o. twice daily for 28 days Result: Inhibited the growth of castration-resistant prostate cancer (CRPC) xenografts that express AR splice variants .

Form:Solid

IC50& Target:IC50: 7.4 μM (AR-NTD)

Specifications

Sinónimos

Ralaniten | Ralaniten (USAN/INN) | 1, 2-Propanediol, 3-(4-(1-(4-((2S)-3-chloro-2-hydroxypropoxy)phenyl)-1-methylethyl)phenoxy)-, (2R)- | E74798 | D11184 | AKOS040749271 | RALANITEN [INN] | (R)-3-(4-(2-(4-((S)-3-chloro-2-hydroxypropoxy)phenyl)propan-2-yl)ph

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Ralaniten (EPI-002) is a potent and orally active antagonist of the androgen receptor-N-terminal domain (AR-NTD) . Ralaniten inhibits AR transcriptional activity, with IC 50 of 7.4 μM. Ralaniten can be used for the research of castration-resistant prostat

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C1=CC=C(C=C1)OCC(CO)O)C2=CC=C(C=C2)OCC(CCl)O
• IUPAC Name: (2R)-3-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol
• InChIKey: HDTYUHNZRYZEEB-QZTJIDSGSA-N
• INCHI: 1S/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3/t17-,18-/m1/s1
• Isómeros SMILES: CC(C)(C1=CC=C(C=C1)OC[C@@H](CO)O)C2=CC=C(C=C2)OC[C@@H](CCl)O
• Peso molecular: 394.9
• Reaxy-Rn: 14524492
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14524492&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylpropanes Phenoxy compounds Phenol ethers Alkyl aryl ethers Secondary alcohols Chlorohydrins 1,2-diols Primary alcohols Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1,2-diol - Secondary alcohol - Chlorohydrin - Halohydrin - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Primary alcohol - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (253.24 mM; Need ultrasonic)
• Peso molecular: 394.900 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 394.155 Da
• Monoisotopic Mass: 394.155 Da
• Topological Polar Surface Area: 79.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 403.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1